Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study

被引：5
|
作者：
Lee, Eung-Kwan [1 ]
Choi, Heechae [1 ]
Hwang, Yubin [1 ]
Chung, Yong-Chae [1 ]
机构：
[1] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea
来源：
JOURNAL OF APPLIED PHYSICS | 2011年 / 109卷 / 07期
关键词：
EXCHANGE; ATOMS; FEPT;
D O I：
10.1063/1.3565192
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Using ab initio calculations, we obtained the surface phase diagram of a Fe/Pt(001) surface and the magnetic anisotropy energies of the equilibrium Fe/Pt(001) surface structures. From the obtained surface phase diagram, Fe-rich L1(2) B and perpendicular L1(0) B were found to be the most stable Fe-Pt surface phases. The calculated magnetic anisotropy energies of the Fe-rich L1(2) B and perpendicular L1(0) B Fe/Pt(001) structures revealed that the magnetic easy axes of the surface structures prefer to align in the [001] direction. Through systematic calculations, we showed that the magnetic anisotropy reduction in Fe/Pt(001) originates from the changed electron filling in the 3d(z2) orbital of Fe atoms due to the surface formation. (C) 2011 American Institute of Physics. [doi:10.1063/1.3565192]
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页数：3
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